e-Drug3D

1630

BAZEDOXIFENE

INN
BAZEDOXIFENE

cas 198481-32-2

CLASS

GENITO
TREATMENT OF MODERATE TO SEVERE VASOMOTOR SYMPTOMS ASSOCIATED WITH MENOPAUSE
AGONIST OF ESTROGEN RECEPTORS (ER) ALPHA AND BETA

ROUTE (list)

ORAL

PK parameters

F 6 PERCENT
VD 882 LITER (60 KILOGRAM)
Cl 24 LITER / HOUR (60 KILOGRAM)
PPB 98 PERCENT
t1/2 30 HOUR

Solubility

PH DEPENDENT IN WATER (923 MICROGRAM / MILLILITER AT PH 5.4)

Target

TARGET ESTROGEN RECEPTOR ALPHA
ESTROGEN RECEPTOR BETA

PDB
4XI3 (ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH BAZEDOXIFENE)

Download experimental 3D coordinates of 29S with added hydrogens

Estrogen receptor UNIPROT P03372 ESR1

Estrogen receptor beta UNIPROT Q92731 ESR2

Download SDF file

1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl) ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-

Formula:
C30H34N2O3

Calculated chemical properties:

MW 470.59
NB_atoms 35
XLogP 6.33
PSA 58.672
NB_HD 2
NB_HA 5
fsp3 0.33
Lipinski(0=no;1=yes) 0

FDA
NDA 022247 (label) INN (BAZEDOXIFENE ACETATE ; ESTROGENS CONJUGATED) DUAVEE (WYETH PHARMS) APPROVAL= AP YEAR= 2013